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KXEJCMRLSGMAAK-RUDMXATFSA-N

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KXEJCMRLSGMAAK-RUDMXATFSA-N
SpectraBase Compound ID 3WmhKhnjkmx
InChI InChI=1S/C16H16O6/c1-9(15(18)21-3)4-5-11-8-10-6-7-12(20-2)13(17)14(10)22-16(11)19/h4,6-8,17H,5H2,1-3H3/b9-4+
InChIKey KXEJCMRLSGMAAK-RUDMXATFSA-N
Mol Weight 304.3 g/mol
Molecular Formula C16H16O6
Exact Mass 304.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IKHIeWd0tp
Name PHEBACLAVIN-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16O6
InChI InChI=1S/C16H16O6/c1-9(15(18)21-3)4-5-11-8-10-6-7-12(20-2)13(17)14(10)22-16(11)19/h4,6-8,17H,5H2,1-3H3/b9-4+
InChIKey KXEJCMRLSGMAAK-RUDMXATFSA-N
Literature Reference Author M.COLOMBAIN,C.GIRARD,F.MUYARD,F.BEVALOT,F.TILLEQUIN,P.G.WATE RMAN
Literature Reference Citation J.NAT.PROD.,65,458(2002)
Literature Reference DOI 10.1021/np0104469
Molecular Weight 304.299 g/mol
Solvent CDCl3
Source File Reference UWSI5522